5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde

C20H11NO4S2 — CID 102465887

IUPAC5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(C2=C(c3ccc(C=O)s3)C(=O)N(c3ccccc3)C2=O)s1
InChIInChI=1S/C20H11NO4S2/c22-10-13-6-8-15(26-13)17-18(16-9-7-14(11-23)27-16)20(25)21(19(17)24)12-4-2-1-3-5-12/h1-11H
InChIKeyIVGJCNHGGIENEX-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.92
Rot. Bonds5

About 5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde

5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde (PubChem CID 102465887) has the molecular formula C20H11NO4S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde
PubChem CID102465887
Molecular FormulaC20H11NO4S2
Molecular Weight393.45 g/mol
Exact Mass393.01
IUPAC Name5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(C2=C(c3ccc(C=O)s3)C(=O)N(c3ccccc3)C2=O)s1
InChIInChI=1S/C20H11NO4S2/c22-10-13-6-8-15(26-13)17-18(16-9-7-14(11-23)27-16)20(25)21(19(17)24)12-4-2-1-3-5-12/h1-11H
InChIKeyIVGJCNHGGIENEX-UHFFFAOYSA-N
XLogP3.92
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde
CID 123864431
3,4-difluoro-1-phenylpyrrole-2,5-dione
CID 13059269
5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde
CID 102137747
2,3,9,10-tetrafluoro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 171592153
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
2,4,6-trioxo-1,3-diphenyl-1,3-diazinane-5-carbaldehyde
CID 2784820
1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione
CID 138976955
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
2-phenyl-6-(5-phenylthiophen-2-yl)benzo[de]isoquinoline-1,3-dione
CID 177498171
1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554561
(3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde
CID 1070648
5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde
CID 25247619

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde (CID 102465887) is 5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde is O=Cc1ccc(C2=C(c3ccc(C=O)s3)C(=O)N(c3ccccc3)C2=O)s1.
What is the InChIKey of 5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde?
The InChIKey is IVGJCNHGGIENEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO4S2/c22-10-13-6-8-15(26-13)17-18(16-9-7-14(11-23)27-16)20(25)21(19(17)24)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde?
5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde has a molecular weight of 393.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 102465887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).